A new hypothesis for the dissolution mechanism of silicates

Journal of Physical Chemistry C

Volumn 116, Issue 33, 2012, Pages 17479-17491

  Kubicki, James D ^a   Sofo, Jorge O ^a   Skelton, Adam A ^b,c   Bandura, Andrei V ^d  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b VANDERBILT UNIVERSITY   (United States)

^c University of Dayton   (United States)

^d ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ARRHENIUS EQUATION; CLASSICAL MOLECULAR DYNAMICS; DISSOLUTION MECHANISM; H-BONDING; H-BONDS; INTERNAL SURFACES; MOLECULAR DYNAMICS SIMULATIONS; PLANE WAVE DENSITY FUNCTIONAL THEORY; PREEXPONENTIAL FACTOR; PROTONATING; PURE WATER; QUANTUM MECHANICAL SIMULATIONS; SILANOL GROUPS; SILANOLS; SILICATE DISSOLUTION; STATIC ENERGY; SURFACE ATOMS;

DENSITY FUNCTIONAL THEORY; DISSOLUTION; HYDROGEN BONDS; IONIC STRENGTH; QUANTUM THEORY; QUARTZ; SILICATES; SODIUM;

MOLECULAR DYNAMICS;

EID: 84868144175     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp300623v     Document Type: Article

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